UCSF

ZINC34984486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 6.77 -78.27 4 7 1 100 417.526 5
Hi High (pH 8-9.5) 0.60 4.01 -57.87 2 7 -1 94 415.51 5
Mid Mid (pH 6-8) 0.60 4.47 -29.84 3 7 0 99 416.518 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )